The detection of pharmaceuticals has been a matter of concern among scientists and health researchers in the past few decades. However, it is still difficult to realize the sensitivity and selectivity detection of pharmaceuticals with similar structures. Herein, the pharmaceutical molecules of 2-mercaptobenzimidazole (MBI) and 2-mercaptobenzothiazole (MBT) with so similar structures can be selectively detected by surface-enhanced Raman spectroscopy (SERS) taking advantage of the fingerprint identification on Au/MIL-101(Cr), with sensitive detection limits of 0.5 ng·mL–1 for MBI and 1 ng·mL–1 for MBT. MBI is selectively enriched by Au/MIL-101(Cr) from the mixture solution and detected by SERS below 30 ng·mL–1. MBI can also be selectively detected in the serum samples with a detection limit of 10 ng·mL–1. Density functional theory calculations combined with the SERS experiments explained that the high sensitivity and selectivity are caused by the intrinsic differences in Raman intensity and different adsorption energies from the pharmaceutical molecules adsorbed on Au/MIL-101(Cr), respectively. This study provides an effective way to enrich and detect pharmaceutical molecules with similar structures.
The detection of purine drugs has been a persistent concern among scientists in the biology and medicine fields over the past few decades. However, achieving both high sensitivity and selectivity in the detection of purine drugs sharing similar molecular structures remains a significant challenge. Herein, we achieve both high detection sensitivity and selectivity for purine drugs with similar structure on the Gold/Materials of Institut Lavoisier-101(Au/MIL-101) composite by surface-enhanced Raman scattering (SERS). In water solution, the detection sensitivity for adenine (Ade) is as low as 1 ng·mL–1. Importantly, in serum containing Ade, 6-mercaptopurine, and allopurinol, Ade can be selectively detected with a detection limit of 3 ng·mL–1, indicating excellent anti-interference capability and practical application potential. Such high detection sensitivity is attributed to the specific adsorption between the amino group of the Ade and the carboxyl groups of the Materials Institut Lavoisier-101(Cr) (MIL-101(Cr)). This work provides a strategy for detecting structurally similar drugs and illustrates the potential use of functionalized SERS substrates in pharmaceutical analysis and therapeutic drug monitoring.